N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide

C16H25N3O2 — CID 86803953

IUPACN-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)N1CCCCC1C(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)13-7-5-6-9-19(13)16(21)17-14-12(3)8-10-18(4)15(14)20/h8,10-11,13H,5-7,9H2,1-4H3,(H,17,21)
InChIKeyKMQLSXXQXARPPN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.74
Rot. Bonds2

About N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide

N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide (PubChem CID 86803953) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide
PubChem CID86803953
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)N1CCCCC1C(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)13-7-5-6-9-19(13)16(21)17-14-12(3)8-10-18(4)15(14)20/h8,10-11,13H,5-7,9H2,1-4H3,(H,17,21)
InChIKeyKMQLSXXQXARPPN-UHFFFAOYSA-N
XLogP2.74
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86800635
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 167760849
(2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 124591598
(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 100720353
(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 97339609
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 75524686
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119820458
(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 99582464
2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 104833768
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methylphenoxy)propanamide
CID 154864064
1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
CID 99828887
1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
CID 124829856

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide (CID 86803953) is N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide is Cc1ccn(C)c(=O)c1NC(=O)N1CCCCC1C(C)C.
What is the InChIKey of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is KMQLSXXQXARPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)13-7-5-6-9-19(13)16(21)17-14-12(3)8-10-18(4)15(14)20/h8,10-11,13H,5-7,9H2,1-4H3,(H,17,21).
What are the key properties of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide?
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 86803953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).